UCSF

ZINC24924982

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.36 9.06 -21.3 1 5 0 60 348.378 4
Hi High (pH 8-9.5) 3.43 8.14 -53.96 0 5 -1 66 347.37 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )